Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | MTNR1A | P48039 | 7/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 7/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2224908 | 0.89 | SMN1; SMN2 (0.46) | SMN1; SMN2MTNR1AMTNR1BKDM4EHSD17B10 | |
| SCHEMBL31467898 | 0.74 | MEN1 (0.52) | SMN1; SMN2MTNR1AMTNR1BKDM4E | |
| SCHEMBL8723749 | 0.74 | GAA (0.65) | SMN1; SMN2MTNR1AMTNR1BCYP3A4 | |
| SCHEMBL31467946 | 0.72 | SMN1; SMN2 (0.45) | SMN1; SMN2MTNR1AMTNR1BKDM4ECYP3A4 | |
| SCHEMBL31467930 | 0.70 | CYP3A4 (0.51) | SMN1; SMN2MTNR1AMTNR1BKDM4ECYP3A4 | |
| SCHEMBL31467903 | 0.70 | MTNR1A (0.47) | SMN1; SMN2MTNR1AMTNR1BKDM4ECYP3A4 | |
| SCHEMBL8725247 | 0.70 | ALDH1A1 (0.58) | SMN1; SMN2MTNR1AMTNR1BCYP3A4ALDH1A1 | |
| SCHEMBL11747110 | 0.69 | MTNR1A (0.59) | MTNR1AMTNR1BKDM4ECYP3A4HSD17B10 | |
| SCHEMBL534135 | 0.69 | SMN1; SMN2 (0.70) | SMN1; SMN2MTNR1AMTNR1BKDM4ECYP3A4 | |
| SCHEMBL31467940 | 0.69 | SMN1; SMN2 (0.43) | SMN1; SMN2MTNR1AMTNR1BKDM4EALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011082700-A1 | A METHOD FOR THE PREPARATION OF 6,7-DIMETHOXY-1-[2-(4-TRIFLUOROMETHYLPHENYL)ETHYL]-3,4- DIHYDROISOQUINOLINE | ZENTIVA, K.S. (CZ) | 2011-07-14 | — | — | WO | disclosed |